TPCN02406

Name Hemsleyanine D
Molecular Formula C32H45NO8
Molecular Weight 571.71
CAS Registry Number 1013627-15-0
SMILES CCN1CC2(COC)CCC(OC)C34C5CC6C(OC)CC(O)(C(CC23O)C14)C5C6OC(=O)c1ccc(OC)cc1
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Ranunculaceae Aconitum hemsleyanum Subterraneous stems 0.001625% Arch Pharm Res 30, 1497-1500 (2007). 10.1007/bf02977316
Properties
HBA 9 HBD 2
HeavyAtoms 41 AlogP 2.52
TPSA 106.92 RotatableBonds 8
FractionCSP3 0.78 Rings 7
AromaticRings 1 AliphaticRings 6